Inverse Design of Topographical Templates for Directed Self-Assembly of Block Copolymers

A computational inverse design algorithm is presented that predicts the necessary topographical template to direct the self-assembly of a diblock copolymer thin film into a desired complex morphology. This topographical template is determined from the spatial configuration of a template that results in an energy minimum for the system. Degenerate solutions are accounted for by performing multiple simulations with random starting configurations of the topographical template and making a statistically weighted template that is tested using self-consistent field theory simulations. The final template is, thus, the inverse design solution of the desired block copolymer morphology. The results also yield nonintuitive post-configuration design principles.